tert-butyl 5-acetyl-2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate

C16H26N4O6 — CID 134241865

IUPACtert-butyl 5-acetyl-2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
SMILESCC(=O)N1CCN(C(=O)OC(C)(C)C)CC12CN([C@@H](CO)C(N)=O)C2=O
InChIInChI=1S/C16H26N4O6/c1-10(22)20-6-5-18(14(25)26-15(2,3)4)8-16(20)9-19(13(16)24)11(7-21)12(17)23/h11,21H,5-9H2,1-4H3,(H2,17,23)/t11-,16?/m0/s1
InChIKeyNWOHIPRMCRYWGH-CHPOKUKFSA-N
MW370.41 g/mol
LogP-1.49
Rot. Bonds3

About tert-butyl 5-acetyl-2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate

tert-butyl 5-acetyl-2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate (PubChem CID 134241865) has the molecular formula C16H26N4O6 and a molecular weight of 370.41 g/mol. Its IUPAC name is tert-butyl 5-acetyl-2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-acetyl-2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
PubChem CID134241865
Molecular FormulaC16H26N4O6
Molecular Weight370.41 g/mol
Exact Mass370.19
IUPAC Nametert-butyl 5-acetyl-2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
SMILESCC(=O)N1CCN(C(=O)OC(C)(C)C)CC12CN([C@@H](CO)C(N)=O)C2=O
InChIInChI=1S/C16H26N4O6/c1-10(22)20-6-5-18(14(25)26-15(2,3)4)8-16(20)9-19(13(16)24)11(7-21)12(17)23/h11,21H,5-9H2,1-4H3,(H2,17,23)/t11-,16?/m0/s1
InChIKeyNWOHIPRMCRYWGH-CHPOKUKFSA-N
XLogP-1.49
TPSA133.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 5-acetyl-2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 2-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-5-methyl-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
CID 134241870
tert-butyl 2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
CID 134241877
(2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide
CID 171080666
tert-butyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate
CID 20716162
tert-butyl 4-[(Z)-1-aminoprop-1-en-2-yl]piperazine-1-carboxylate;ethane
CID 123541126
tert-butyl 2-[(2S)-1,3-dibutoxy-1-oxopropan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 121308582
ditert-butyl 6-hydroxy-6-methyl-1,4-diazepane-1,4-dicarboxylate
CID 89456794
tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 96892899
tert-butyl 3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 82662965
tert-butyl 2-ethyl-3-methyl-1-oxo-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 59373313
tert-butyl 2-(2-amino-2-oxoethyl)-5-[4-[2-(2-amino-2-oxoethyl)-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carbonyl]oxy-4-methylpentanoyl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
CID 134241878
tert-butyl 1-ethyl-4-oxo-1,9-diazaspiro[4.5]decane-9-carboxylate
CID 165464013

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-acetyl-2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate?
The IUPAC name of tert-butyl 5-acetyl-2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate (CID 134241865) is tert-butyl 5-acetyl-2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate.
What is the SMILES notation for tert-butyl 5-acetyl-2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate?
The canonical SMILES for tert-butyl 5-acetyl-2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate is CC(=O)N1CCN(C(=O)OC(C)(C)C)CC12CN([C@@H](CO)C(N)=O)C2=O.
What is the InChIKey of tert-butyl 5-acetyl-2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate?
The InChIKey is NWOHIPRMCRYWGH-CHPOKUKFSA-N. The full InChI is InChI=1S/C16H26N4O6/c1-10(22)20-6-5-18(14(25)26-15(2,3)4)8-16(20)9-19(13(16)24)11(7-21)12(17)23/h11,21H,5-9H2,1-4H3,(H2,17,23)/t11-,16?/m0/s1.
What are the key properties of tert-butyl 5-acetyl-2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate?
tert-butyl 5-acetyl-2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate has a molecular weight of 370.41 g/mol, XLogP of -1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-acetyl-2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate is sourced from PubChem (CID 134241865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).